Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.2479    0.3895    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2852   -0.4860    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9126   -0.0801    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546    1.0940   -0.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098   -1.0111    0.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.7001    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0459   -0.8502   -1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781   -0.5284   -1.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -0.0590   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    0.0793    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496   -0.2372    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5252    0.2792   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0684    0.1355   -1.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2520    0.7783    0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2714    0.0643    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    1.4241   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -1.4913    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819   -1.2118   -1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -0.6392   -2.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    0.4511    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2761   -0.0956    2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570    1.7826    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0664    0.0344    1.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3318    0.8778    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers